D4CMPP2 0.4.0__py3-none-any.whl

D4CMPP2/src/DataManager/GraphGenerator/__init__.py

@@ -0,0 +1,14 @@
+"""Lazy exports for built-in graph-generator modules."""
+
+from importlib import import_module
+from types import ModuleType
+
+__all__ = ["MolGraphGenerator", "ISAGraphGenerator"]
+
+
+def __getattr__(name: str) -> ModuleType:
+    if name not in __all__:
+        raise AttributeError(f"module {__name__!r} has no attribute {name!r}")
+    module = import_module(f"{__name__}.{name}")
+    globals()[name] = module
+    return module

D4CMPP2/src/DataManager/ISADataManager.py

@@ -0,0 +1,67 @@
+from .MolDataManager import MolDataManager
+from D4CMPP2.src.utils import PATH
+
+from .GraphGenerator.ISAGraphGenerator import ISAGraphGenerator
+from .Dataset.ISAGraphDataset import ISAGraphDataset, ISAGraphDataset_legacy
+
+class ISADataManager_legacy(MolDataManager):
+    """The class for the data management of the ISA dataset."""
+    feature_dimension_keys = (
+        "node_dim", "edge_dim",
+        "r_node_dim", "i_node_dim", "d_node_dim",
+        "r_edge_dim", "i_edge_dim", "d_edge_dim",
+    )
+    def __init__(self, config):
+        super().__init__(config)
+        self.config.update({
+            "r_node_dim": self.gg.r_node_dim,
+            "i_node_dim": self.gg.i_node_dim,
+            "d_node_dim": self.gg.d_node_dim,
+            "r_edge_dim": self.gg.r_edge_dim,
+            "i_edge_dim": self.gg.i_edge_dim,
+            "d_edge_dim": self.gg.d_edge_dim,
+        })
+
+    def import_others(self):
+        if 'sculptor_a' not in self.config or 'sculptor_c' not in self.config or 'sculptor_s' not in self.config:
+            raise Exception("The argument 'sculptor_index' is not defined")
+        sculptor_index = (self.config['sculptor_s'],self.config['sculptor_c'],self.config['sculptor_a'])
+        self._output().info(
+            f"[Data] ISA fragmentation index: {sculptor_index!r}."
+        )
+        self.graph_type = 'img'+str(sculptor_index[0])+str(sculptor_index[1])+str(sculptor_index[2])
+        self.gg = ISAGraphGenerator(
+            self.config['MODEL_PATH']+'/functional_group.csv',
+            sculptor_index
+        )
+        self.dataset =ISAGraphDataset_legacy
+        self.unwrapper = self.dataset.unwrapper
+        
+class ISADataManager(MolDataManager):
+    """The class for the data management of the ISA dataset."""
+    feature_dimension_keys = ISADataManager_legacy.feature_dimension_keys
+    def __init__(self, config):
+        super().__init__(config)
+        self.config.update({
+            "r_node_dim": self.gg.r_node_dim,
+            "i_node_dim": self.gg.i_node_dim,
+            "d_node_dim": self.gg.d_node_dim,
+            "r_edge_dim": self.gg.r_edge_dim,
+            "i_edge_dim": self.gg.i_edge_dim,
+            "d_edge_dim": self.gg.d_edge_dim,
+        })
+
+    def import_others(self):
+        if 'sculptor_a' not in self.config or 'sculptor_c' not in self.config or 'sculptor_s' not in self.config:
+            raise Exception("The argument 'sculptor_index' is not defined")
+        sculptor_index = (self.config['sculptor_s'],self.config['sculptor_c'],self.config['sculptor_a'])
+        self._output().info(
+            f"[Data] ISA fragmentation index: {sculptor_index!r}."
+        )
+        self.graph_type = 'img'+str(sculptor_index[0])+str(sculptor_index[1])+str(sculptor_index[2])
+        self.gg = ISAGraphGenerator(
+            self.config['MODEL_PATH']+'/functional_group.csv',
+            sculptor_index
+        )
+        self.dataset =ISAGraphDataset
+        self.unwrapper = self.dataset.unwrapper